SCHEMBL16626644

SCHEMBL16626644

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Cc3ccc(OC(F)(F)F)cc3C)ccc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAT2A P31153 1/20 0.34
ROCK2 O75116 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
CHRM5 P08912 2/20 0.31
ABL1 P00519 2/20 0.31
BCR P11274 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
PDE10A Q9Y233 2/20 0.30
NAMPT P43490 2/20 0.30
PDE2A O00408 1/20 0.30
PDE7A Q13946 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19983950 0.91 CYP11B1 (0.41) CYP11B1CYP11B2MAT2AROCK2DGAT2
SCHEMBL19983960 0.91 CYP11B1 (0.36) CYP11B1CYP11B2MAT2AROCK2DGAT2
SCHEMBL19984028 0.83 ALDH1A1 (0.37) CYP11B1CYP11B2DGAT2PDE10ANAMPT
SCHEMBL16626624 0.82 KLKB1 (0.33) NAMPT
SCHEMBL16626750 0.81 RAB9A (0.36) NAMPT
SCHEMBL16626650 0.79 SLC6A4 (0.33) CYP11B1CYP11B2MAT2ANAMPT
SCHEMBL16626783 0.79 P2RX7 (0.35) DGAT2NAMPT
SCHEMBL17975821 0.79 HTR6 (0.38) CYP11B1CYP11B2MAT2AROCK2CHRM5
Hydrochloric Acid SCHEMBL16618980 0.79 HTR6 (0.37) CYP11B1CYP11B2MAT2AROCK2CHRM5
SCHEMBL16626086 0.73 GRIN2B (0.38)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed